(6Z,15Z)-11-(2,2-dimethylpropyl)henicosa-6,15-diene

C26H50 — CID 164773488

IUPAC(6Z,15Z)-11-(2,2-dimethylpropyl)henicosa-6,15-diene
SMILESCCCCC/C=C\CCCC(CCC/C=C\CCCCC)CC(C)(C)C
InChIInChI=1S/C26H50/c1-6-8-10-12-14-16-18-20-22-25(24-26(3,4)5)23-21-19-17-15-13-11-9-7-2/h14-17,25H,6-13,18-24H2,1-5H3/b16-14-,17-15-
InChIKeyMVAAIGPENANKSN-RYOQUFEFSA-N
MW362.69 g/mol
LogP9.65
Rot. Bonds17

About (6Z,15Z)-11-(2,2-dimethylpropyl)henicosa-6,15-diene

(6Z,15Z)-11-(2,2-dimethylpropyl)henicosa-6,15-diene (PubChem CID 164773488) has the molecular formula C26H50 and a molecular weight of 362.69 g/mol. Its IUPAC name is (6Z,15Z)-11-(2,2-dimethylpropyl)henicosa-6,15-diene.

Molecular Properties

Compound Name(6Z,15Z)-11-(2,2-dimethylpropyl)henicosa-6,15-diene
PubChem CID164773488
Molecular FormulaC26H50
Molecular Weight362.69 g/mol
Exact Mass362.39
IUPAC Name(6Z,15Z)-11-(2,2-dimethylpropyl)henicosa-6,15-diene
SMILESCCCCC/C=C\CCCC(CCC/C=C\CCCCC)CC(C)(C)C
InChIInChI=1S/C26H50/c1-6-8-10-12-14-16-18-20-22-25(24-26(3,4)5)23-21-19-17-15-13-11-9-7-2/h14-17,25H,6-13,18-24H2,1-5H3/b16-14-,17-15-
InChIKeyMVAAIGPENANKSN-RYOQUFEFSA-N
XLogP9.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.69
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(2,2-dimethylpropyl)octan-1-ol
CID 118887517
16-ethylhenicos-6-ene
CID 173194293
(E)-14-ethylnonadec-7-ene
CID 173194393
(E)-19-ethylhexacos-12-ene
CID 173194168
4-ethyl-2,2-dimethylundecane
CID 57148290
16-ethyldocos-10-ene
CID 91389222
(6E,15E)-11-methylhenicosa-6,15-diene
CID 175445271
(E)-10-propyldocos-5-ene
CID 173194543
(E,3R)-2,2-dimethylheptadec-7-en-3-ol
CID 176767686
(Z)-2,2-dimethyldodec-5-ene
CID 153455160
(Z)-2,2-dimethylnonadec-7-ene
CID 176613705
(Z)-docos-9-ene
CID 11690102

Frequently Asked Questions

What is the IUPAC name of (6Z,15Z)-11-(2,2-dimethylpropyl)henicosa-6,15-diene?
The IUPAC name of (6Z,15Z)-11-(2,2-dimethylpropyl)henicosa-6,15-diene (CID 164773488) is (6Z,15Z)-11-(2,2-dimethylpropyl)henicosa-6,15-diene.
What is the SMILES notation for (6Z,15Z)-11-(2,2-dimethylpropyl)henicosa-6,15-diene?
The canonical SMILES for (6Z,15Z)-11-(2,2-dimethylpropyl)henicosa-6,15-diene is CCCCC/C=C\CCCC(CCC/C=C\CCCCC)CC(C)(C)C.
What is the InChIKey of (6Z,15Z)-11-(2,2-dimethylpropyl)henicosa-6,15-diene?
The InChIKey is MVAAIGPENANKSN-RYOQUFEFSA-N. The full InChI is InChI=1S/C26H50/c1-6-8-10-12-14-16-18-20-22-25(24-26(3,4)5)23-21-19-17-15-13-11-9-7-2/h14-17,25H,6-13,18-24H2,1-5H3/b16-14-,17-15-.
What are the key properties of (6Z,15Z)-11-(2,2-dimethylpropyl)henicosa-6,15-diene?
(6Z,15Z)-11-(2,2-dimethylpropyl)henicosa-6,15-diene has a molecular weight of 362.69 g/mol, XLogP of 9.65, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,15Z)-11-(2,2-dimethylpropyl)henicosa-6,15-diene is sourced from PubChem (CID 164773488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).